1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine

C16H29N5 — CID 80553361

IUPAC1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
SMILESCC(C)n1ccc(CN2CCC(N3CCC(N)CC3)C2)n1
InChIInChI=1S/C16H29N5/c1-13(2)21-10-5-15(18-21)11-19-7-6-16(12-19)20-8-3-14(17)4-9-20/h5,10,13-14,16H,3-4,6-9,11-12,17H2,1-2H3
InChIKeyKNBJFEZELHNIOM-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.46
Rot. Bonds4

About 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine

1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 80553361) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
PubChem CID80553361
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
SMILESCC(C)n1ccc(CN2CCC(N3CCC(N)CC3)C2)n1
InChIInChI=1S/C16H29N5/c1-13(2)21-10-5-15(18-21)11-19-7-6-16(12-19)20-8-3-14(17)4-9-20/h5,10,13-14,16H,3-4,6-9,11-12,17H2,1-2H3
InChIKeyKNBJFEZELHNIOM-UHFFFAOYSA-N
XLogP1.46
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918076
[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 64771254
3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114502720
1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 64785981
N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905844
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552735
1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80553294
8-[(1-propan-2-ylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 64771332
3-[(3-bromopyrrolidin-1-yl)methyl]-1-butan-2-ylpyrazole
CID 80676536
N-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-amine
CID 64771689
(3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 66291137
3-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1-butan-2-ylpyrazole
CID 80691044

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine (CID 80553361) is 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine is CC(C)n1ccc(CN2CCC(N3CCC(N)CC3)C2)n1.
What is the InChIKey of 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is KNBJFEZELHNIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-13(2)21-10-5-15(18-21)11-19-7-6-16(12-19)20-8-3-14(17)4-9-20/h5,10,13-14,16H,3-4,6-9,11-12,17H2,1-2H3.
What are the key properties of 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine?
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 80553361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).